N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3S2/c1-28-15-17-29(18-16-28)34(31,32)23-13-11-22(12-14-23)26-25(33)27-24(30)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3,(H2,26,27,30,33)